Information card for entry 7212061

Structure parameters

• Formula: C16 H24 Ho2 O26
• Calculated formula: C16 H24 Ho2 O26
• SMILES: C1(=O)C=C2C(=O)O[Ho]34([O]2C(=C1)C(=O)O3)([OH2])([OH2])([OH2])([O]=C1C(=[O][Ho]23([O]5C(=CC(=O)C=C5C(=O)O3)C(=O)O2)([OH2])([OH2])([OH2])(O1)[OH2])O4)[OH2].O.O
• Title of publication: Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid
• Authors of publication: Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1809
• a: 6.1814 ± 0.0004 Å
• b: 10.0963 ± 0.0007 Å
• c: 10.8666 ± 0.0007 Å
• α: 97.249 ± 0.006°
• β: 95.999 ± 0.005°
• γ: 103.84 ± 0.006°
• Cell volume: 646.81 ± 0.08 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No